N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide

C26H29N3O5S — CID 23144560

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c30-20-7-11-29(12-8-20)16-17-3-5-19(6-4-17)25(32)28-26-27-22(21-2-1-13-34-21)24(35-26)23(31)18-9-14-33-15-10-18/h1-6,13,18,20,30H,7-12,14-16H2,(H,27,28,32)
InChIKeyYQDOXPWQJDBLPL-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide (PubChem CID 23144560) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
PubChem CID23144560
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c30-20-7-11-29(12-8-20)16-17-3-5-19(6-4-17)25(32)28-26-27-22(21-2-1-13-34-21)24(35-26)23(31)18-9-14-33-15-10-18/h1-6,13,18,20,30H,7-12,14-16H2,(H,27,28,32)
InChIKeyYQDOXPWQJDBLPL-UHFFFAOYSA-N
XLogP4.22
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide (CID 23144560) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide is O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
The InChIKey is YQDOXPWQJDBLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c30-20-7-11-29(12-8-20)16-17-3-5-19(6-4-17)25(32)28-26-27-22(21-2-1-13-34-21)24(35-26)23(31)18-9-14-33-15-10-18/h1-6,13,18,20,30H,7-12,14-16H2,(H,27,28,32).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide has a molecular weight of 495.60 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 23144560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).